UCSF

ZINC33579048

Substance Information

In ZINC since Heavy atoms Benign functionality
July 13th, 2009 21 No

Download: MOL2 SDF SMILES Flexibase

Physical Representations

Type pH range xlogP Des A‑Pol Apolar desolvation (kcal/mol) Des Pol Polar desolvation (kcal/mol) H Don H-bond donors H Acc H-bond acceptors Chg Net charge tPSA (Ų) MWT Molecular weight (g/mol) RB Rotatable bonds DL
Ref Reference (pH 7) 2.41 7.73 -12.43 2 5 0 79 301.371 3
Mid Mid (pH 6-8) 2.86 5.95 -53.11 1 5 -1 82 300.363 3

Activity (Go SEA)

Analogs ( Draw Identity 99% 90% 80% 70% )